trans-Ferulic acid

Formula: C₁₀H₁₀O₄
Molecular weight: 194.1840
IUPAC Standard InChI: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
IUPAC Standard InChIKey: KSEBMYQBYZTDHS-HWKANZROSA-N
CAS Registry Number: 537-98-4
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Stereoisomers:
- 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-
Other names: 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-; Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-; Cinnamic acid, 4-hydroxy-3-methoxy-, trans-; Ferulic acid, trans-; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; (2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 4-Hydroxy-3-methoxycinnamic acid, trans; (E)-4-Hydroxy-3-methoxycinnamic acid; (E)-Ferulic acid; trans-4-Hydroxy-3-methoxycinnamic acid; Ferulic acid; (E)-4'-hydroxy-3'-methoxycinnamic acid
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1881.	Adedeji, Hartman, et al., 1992	60. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 2. K/min, 280. C @ 10. min

Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1867.	Jerkovic, Hegic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
Capillary	DB-5	1875.	Güntert, Rapp, et al., 1986	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 40. C; T_end: 250. C

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1911.	Alissandrakis, Kibaris, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)

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Adedeji, Hartman, et al., 1992
Adedeji, J.; Hartman, T.G.; Lech, J.; Ho, C.-T., Characterization of glycosidically bound aroma compounds in the African Mango (Mangifera indica L.), J. Agric. Food Chem., 1992, 40, 4, 659-661, https://doi.org/10.1021/jf00016a028 . [all data]

Jerkovic, Hegic, et al., 2010
Jerkovic, I.; Hegic, G.; Marijanovic, Z.; Bubalo, D., Organic extractives from Mentha spp. honey and the bee-stomach: methyl syringate, vomifoliol, terpenediol I, hotrienol, and other compounds, Molecules, 2010, 15, 4, 2911-2924, https://doi.org/10.3390/molecules15042911 . [all data]

Güntert, Rapp, et al., 1986
Güntert, M.; Rapp, A.; Takeoka, G.R.; Jennings, W., HRGC and HRGC-MS applied to wine constituents of lower volatility, Z. Lebensm. Unters. Forsch., 1986, 182, 3, 200-204, https://doi.org/10.1007/BF01042128 . [all data]

Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M., Flavour compounds of Greek cotton honey, J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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